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  <div class="section" id="bondanglemap">
<h1>BondAngleMap<a class="headerlink" href="#bondanglemap" title="Permalink to this headline">¶</a></h1>
<dl class="class">
<dt id="atomman.cluster.BondAngleMap">
<em class="property">class </em><code class="sig-prename descclassname">atomman.cluster.</code><code class="sig-name descname">BondAngleMap</code><span class="sig-paren">(</span><em class="sig-param">model=None</em>, <em class="sig-param">rmin=None</em>, <em class="sig-param">rmax=None</em>, <em class="sig-param">rnum=None</em>, <em class="sig-param">thetamin=None</em>, <em class="sig-param">thetamax=None</em>, <em class="sig-param">thetanum=None</em>, <em class="sig-param">r_ij=None</em>, <em class="sig-param">r_ik=None</em>, <em class="sig-param">theta=None</em>, <em class="sig-param">energy=None</em>, <em class="sig-param">symbols=None</em><span class="sig-paren">)</span><a class="headerlink" href="#atomman.cluster.BondAngleMap" title="Permalink to this definition">¶</a></dt>
<dd><p>Bases: <a class="reference external" href="https://docs.python.org/3/library/functions.html#object" title="(in Python v3.9)"><code class="xref py py-class docutils literal notranslate"><span class="pre">object</span></code></a></p>
<p>Class for generating and analyzing energies of three atom clusters that
explore a range of interatomic distances and bond angles.  Can be used to
characterize the 3 atom bond nature of interatomic potentials.</p>
<dl class="method">
<dt id="atomman.cluster.BondAngleMap.cumulative_pdf">
<code class="sig-name descname">cumulative_pdf</code><span class="sig-paren">(</span><em class="sig-param">nbins=301</em>, <em class="sig-param">energymin=-15.0</em>, <em class="sig-param">energymax=15.0</em><span class="sig-paren">)</span><a class="headerlink" href="#atomman.cluster.BondAngleMap.cumulative_pdf" title="Permalink to this definition">¶</a></dt>
<dd><p>Returns the cumulative probability density function for the energy.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters</dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>nbins</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#int" title="(in Python v3.9)"><em>int</em></a><em>, </em><em>optional</em>) – The number of histogram bins to use.  Default value is 301.</p></li>
<li><p><strong>energymin</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – The minimum energy bound to consider.  Default value is -15.0.</p></li>
<li><p><strong>energymax</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – The maximum energy bound to consider.  Default value is 15.0.</p></li>
</ul>
</dd>
<dt class="field-even">Returns</dt>
<dd class="field-even"><p><ul class="simple">
<li><p><strong>cum_pdf</strong> (<em>numpy.NDArray</em>) – The cumulative probability density function associated with each bin.</p></li>
<li><p><strong>centers</strong> (<em>numpy.NDArray</em>) – The center values for each bin.</p></li>
</ul>
</p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.cluster.BondAngleMap.df">
<em class="property">property </em><code class="sig-name descname">df</code><a class="headerlink" href="#atomman.cluster.BondAngleMap.df" title="Permalink to this definition">¶</a></dt>
<dd><p>The cluster coordinates and energies.</p>
<dl class="field-list simple">
<dt class="field-odd">Type</dt>
<dd class="field-odd"><p>pandas.Dataframe</p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.cluster.BondAngleMap.itercoords">
<code class="sig-name descname">itercoords</code><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#atomman.cluster.BondAngleMap.itercoords" title="Permalink to this definition">¶</a></dt>
<dd><p>Iterates through the three-body coordinates, which can be used as inputs for
computing energies.</p>
<dl class="field-list simple">
<dt class="field-odd">Yields</dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>r_ij</strong> (<em>float</em>) – The radial distance between atoms i and j.</p></li>
<li><p><strong>r_ik</strong> (<em>float</em>) – The radial distance between atoms i and k.</p></li>
<li><p><strong>r_jk</strong> (<em>float</em>) – The radial distance between atoms j and k.</p></li>
<li><p><strong>theta</strong> (<em>float</em>) – The angle between i-j and i-k in degrees.</p></li>
</ul>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.cluster.BondAngleMap.itersystem">
<code class="sig-name descname">itersystem</code><span class="sig-paren">(</span><em class="sig-param">symbols=None</em>, <em class="sig-param">copy=False</em><span class="sig-paren">)</span><a class="headerlink" href="#atomman.cluster.BondAngleMap.itersystem" title="Permalink to this definition">¶</a></dt>
<dd><p>Iterates through the three-body coordinates and returns a System for each.
Useful for generating configuration files for simulators.  The atom
coordinates will be set such that atom 0 is at [0,0,0], atom 1 at
[r_ij,0,0] and atom 2 is in the xy plane based on r_ik and theta.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters</dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>symbols</strong> (<a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#str" title="(in Python v3.9)"><em>str</em></a><em> or </em><a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#list" title="(in Python v3.9)"><em>list</em></a><em>, </em><em>optional</em>) – The element model symbols to assign to the atoms.  Can either be
one value for all atoms, or three values for each atom individually.
If not given here, will use the values set during class
initialization.</p></li>
<li><p><strong>copy</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#bool" title="(in Python v3.9)"><em>bool</em></a><em>, </em><em>optional</em>) – If False (default), then the yielded system is the same object with
the coordinates shifted.  If True, each yielded system is a new object.</p></li>
</ul>
</dd>
<dt class="field-even">Yields</dt>
<dd class="field-even"><p><em>atomman.System</em> – The atomic system containing the three-body cluster.</p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.cluster.BondAngleMap.model">
<code class="sig-name descname">model</code><span class="sig-paren">(</span><em class="sig-param">model=None</em>, <em class="sig-param">length_unit='angstrom'</em>, <em class="sig-param">energy_unit='eV'</em><span class="sig-paren">)</span><a class="headerlink" href="#atomman.cluster.BondAngleMap.model" title="Permalink to this definition">¶</a></dt>
<dd><p>Loads or generates a bond angle map data model.</p>
<p>Note: Generating data models is currently limited to regular values,
i.e. ones which the coordinates correspond to embedded loops with
r_ij iterating in the outside loop, r_ik in the middle loop and
theta in the inside loop.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters</dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>model</strong> (<a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#str" title="(in Python v3.9)"><em>str</em></a><em>, </em><em>file-like object</em><em> or </em><em>DataModelDict</em><em>, </em><em>optional</em>) – The data model content or file containing the bond angle map data.
If given, the content will be read in and set to the current object.
If not given, then a data model will be returned for the object.</p></li>
<li><p><strong>length_unit</strong> (<a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#str" title="(in Python v3.9)"><em>str</em></a><em>, </em><em>optional</em>) – The unit of length to save the rmin and max values in when
generating a data model.  Default is ‘angstrom’.
value</p></li>
<li><p><strong>energy_unit</strong> (<a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#str" title="(in Python v3.9)"><em>str</em></a><em>, </em><em>optional</em>) – The unit of energy to save the energy values in when generating a
data model.  Default value is ‘eV’.</p></li>
</ul>
</dd>
<dt class="field-even">Returns</dt>
<dd class="field-even"><p>The data model containing the bond angle map coordinate information
and measured energies.  Only returned if model is not given as a
parameter.</p>
</dd>
<dt class="field-odd">Return type</dt>
<dd class="field-odd"><p>DataModelDict.DataModelDict</p>
</dd>
<dt class="field-even">Raises</dt>
<dd class="field-even"><p><a class="reference external" href="https://docs.python.org/3/library/exceptions.html#ValueError" title="(in Python v3.9)"><strong>ValueError</strong></a> – If the data is irregular, i.e. coordinates do not conform to
    embedded loops with r_ij in the outer loop, r_ik in the middle loop
    and theta in the inside loop.</p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.cluster.BondAngleMap.pdf">
<code class="sig-name descname">pdf</code><span class="sig-paren">(</span><em class="sig-param">nbins=301</em>, <em class="sig-param">energymin=-15.0</em>, <em class="sig-param">energymax=15.0</em><span class="sig-paren">)</span><a class="headerlink" href="#atomman.cluster.BondAngleMap.pdf" title="Permalink to this definition">¶</a></dt>
<dd><p>Returns the probability density function for the energy</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters</dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>nbins</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#int" title="(in Python v3.9)"><em>int</em></a><em>, </em><em>optional</em>) – The number of histogram bins to use.  Default value is 301.</p></li>
<li><p><strong>energymin</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – The minimum energy bound to consider.  Default value is -15.0.</p></li>
<li><p><strong>energymax</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – The maximum energy bound to consider.  Default value is 15.0.</p></li>
</ul>
</dd>
<dt class="field-even">Returns</dt>
<dd class="field-even"><p><ul class="simple">
<li><p><strong>pdf</strong> (<em>numpy.NDArray</em>) – The probability density function associated with each bin.</p></li>
<li><p><strong>centers</strong> (<em>numpy.NDArray</em>) – The center values for each bin.</p></li>
</ul>
</p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.cluster.BondAngleMap.plot_cumulative_pdf">
<code class="sig-name descname">plot_cumulative_pdf</code><span class="sig-paren">(</span><em class="sig-param">nbins=301</em>, <em class="sig-param">energymin=-15.0</em>, <em class="sig-param">energymax=15.0</em>, <em class="sig-param">matplotlib_axes=None</em>, <em class="sig-param">**kwargs</em><span class="sig-paren">)</span><a class="headerlink" href="#atomman.cluster.BondAngleMap.plot_cumulative_pdf" title="Permalink to this definition">¶</a></dt>
<dd><p>Generates a plot of the cumulative probability density function of the energy.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters</dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>nbins</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#int" title="(in Python v3.9)"><em>int</em></a><em>, </em><em>optional</em>) – The number of histogram bins to use.  Default value is 301.</p></li>
<li><p><strong>energymin</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – The minimum energy bound to consider.  Default value is -15.0.</p></li>
<li><p><strong>energymax</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – The maximum energy bound to consider.  Default value is 15.0.</p></li>
<li><p><strong>matplotlib_axes</strong> (<em>matplotlib.Axes.axes</em><em>, </em><em>optional</em><em>, </em><em>optional</em>) – An existing plotting axis to add the pdf plot to.  If not given,
a new figure object will be generated.</p></li>
<li><p><strong>**kwargs</strong> (<em>any</em><em>, </em><em>optional</em>) – Any additional key word arguments will be passed to
matplotlib.pyplot.figure for generating a new figure object (if
axis is not given).</p></li>
</ul>
</dd>
<dt class="field-even">Returns</dt>
<dd class="field-even"><p>The generated figure.  Not returned if matplotlib_axes is given.</p>
</dd>
<dt class="field-odd">Return type</dt>
<dd class="field-odd"><p>matplotlib.Figure</p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.cluster.BondAngleMap.plot_pdf">
<code class="sig-name descname">plot_pdf</code><span class="sig-paren">(</span><em class="sig-param">nbins=301</em>, <em class="sig-param">energymin=-15.0</em>, <em class="sig-param">energymax=15.0</em>, <em class="sig-param">matplotlib_axes=None</em>, <em class="sig-param">**kwargs</em><span class="sig-paren">)</span><a class="headerlink" href="#atomman.cluster.BondAngleMap.plot_pdf" title="Permalink to this definition">¶</a></dt>
<dd><p>Generates a plot of the probability density function of the energy.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters</dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>nbins</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#int" title="(in Python v3.9)"><em>int</em></a><em>, </em><em>optional</em>) – The number of histogram bins to use.  Default value is 301.</p></li>
<li><p><strong>energymin</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – The minimum energy bound to consider.  Default value is -15.0.</p></li>
<li><p><strong>energymax</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – The maximum energy bound to consider.  Default value is 15.0.</p></li>
<li><p><strong>matplotlib_axes</strong> (<em>matplotlib.Axes.axes</em><em>, </em><em>optional</em><em>, </em><em>optional</em>) – An existing plotting axis to add the pdf plot to.  If not given,
a new figure object will be generated.</p></li>
<li><p><strong>**kwargs</strong> (<em>any</em><em>, </em><em>optional</em>) – Any additional key word arguments will be passed to
matplotlib.pyplot.figure for generating a new figure object (if
axis is not given).</p></li>
</ul>
</dd>
<dt class="field-even">Returns</dt>
<dd class="field-even"><p>The generated figure.  Not returned if matplotlib_axes is given.</p>
</dd>
<dt class="field-odd">Return type</dt>
<dd class="field-odd"><p>matplotlib.Figure</p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.cluster.BondAngleMap.rmax">
<em class="property">property </em><code class="sig-name descname">rmax</code><a class="headerlink" href="#atomman.cluster.BondAngleMap.rmax" title="Permalink to this definition">¶</a></dt>
<dd><p>The maximum value used for the r_ij and r_ik spacings.</p>
<dl class="field-list simple">
<dt class="field-odd">Type</dt>
<dd class="field-odd"><p><a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)">float</a> or <a class="reference external" href="https://docs.python.org/3/library/constants.html#None" title="(in Python v3.9)">None</a></p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.cluster.BondAngleMap.rmin">
<em class="property">property </em><code class="sig-name descname">rmin</code><a class="headerlink" href="#atomman.cluster.BondAngleMap.rmin" title="Permalink to this definition">¶</a></dt>
<dd><p>The minimum value used for the r_ij and r_ik spacings.</p>
<dl class="field-list simple">
<dt class="field-odd">Type</dt>
<dd class="field-odd"><p><a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)">float</a> or <a class="reference external" href="https://docs.python.org/3/library/constants.html#None" title="(in Python v3.9)">None</a></p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.cluster.BondAngleMap.rnum">
<em class="property">property </em><code class="sig-name descname">rnum</code><a class="headerlink" href="#atomman.cluster.BondAngleMap.rnum" title="Permalink to this definition">¶</a></dt>
<dd><p>The number of values used for the r_ij and r_ik spacings.</p>
<dl class="field-list simple">
<dt class="field-odd">Type</dt>
<dd class="field-odd"><p><a class="reference external" href="https://docs.python.org/3/library/functions.html#int" title="(in Python v3.9)">int</a> or <a class="reference external" href="https://docs.python.org/3/library/constants.html#None" title="(in Python v3.9)">None</a></p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.cluster.BondAngleMap.save_table">
<code class="sig-name descname">save_table</code><span class="sig-paren">(</span><em class="sig-param">filename</em>, <em class="sig-param">include_header=True</em><span class="sig-paren">)</span><a class="headerlink" href="#atomman.cluster.BondAngleMap.save_table" title="Permalink to this definition">¶</a></dt>
<dd><p>Saves a tabulated representation of the coordinates and energy values to a file.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters</dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>filename</strong> (<a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#str" title="(in Python v3.9)"><em>str</em></a>) – The path to the file where the table will be saved.</p></li>
<li><p><strong>include_header</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#bool" title="(in Python v3.9)"><em>bool</em></a>) – If True (default) then header comments will be listed at the top of the file.</p></li>
</ul>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.cluster.BondAngleMap.set">
<code class="sig-name descname">set</code><span class="sig-paren">(</span><em class="sig-param">rmin=None</em>, <em class="sig-param">rmax=None</em>, <em class="sig-param">rnum=None</em>, <em class="sig-param">thetamin=None</em>, <em class="sig-param">thetamax=None</em>, <em class="sig-param">thetanum=None</em>, <em class="sig-param">r_ij=None</em>, <em class="sig-param">r_ik=None</em>, <em class="sig-param">theta=None</em>, <em class="sig-param">energy=None</em><span class="sig-paren">)</span><a class="headerlink" href="#atomman.cluster.BondAngleMap.set" title="Permalink to this definition">¶</a></dt>
<dd><p>Sets the bond angle coordinates and the associated energies, if given.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters</dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>energy</strong> (<em>array-like</em><em>, </em><em>optional</em>) – All measured energies.  If r_ij, r_ik and theta are given then
all should be the same length.  If the range parameters are given
then the length should be thetanum*rnum*rnum.  If not given, then
a new array of nan values will be constructed.</p></li>
<li><p><strong>rmin</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – The minimum value used for the r_ij and r_ik spacings.</p></li>
<li><p><strong>rmax</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – The maximum value used for the r_ij and r_ik spacings.</p></li>
<li><p><strong>rnum</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – The number of values used for the r_ij and r_ik spacings.</p></li>
<li><p><strong>thetamin</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – The minimum value used for the theta angles.</p></li>
<li><p><strong>thetamax</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – The maximum value used for the theta angles.</p></li>
<li><p><strong>thetanum</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)"><em>float</em></a><em>, </em><em>optional</em>) – The number of values used for the theta angles.</p></li>
<li><p><strong>r_ij</strong> (<em>array-like</em><em>, </em><em>optional</em>) – All r_ij values used.  If given, the lengths of r_ij, r_ik and
theta need to be the same.</p></li>
<li><p><strong>r_ik</strong> (<em>array-like</em><em>, </em><em>optional</em>) – All r_ik values used.  If given, the lengths of r_ij, r_ik and
theta need to be the same.</p></li>
<li><p><strong>theta</strong> (<em>array-like</em><em>, </em><em>optional</em>) – All theta values used.  If given, the lengths of r_ij, r_ik and
theta need to be the same.</p></li>
<li><p><strong>energy</strong> – All measured energies.  If r_ij, r_ik and theta are given then
all should be the same length.  If the coordinate range parameters
are given, then the energies should be of length rnum*rnum*thetanum
and ordered to correspond to three embedded loops with r_ij
iterating in the outside loop, r_ik in the middle and theta in the
inside.  If energy is not given, then all values will initially be
set to np.nan.</p></li>
</ul>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.cluster.BondAngleMap.symbols">
<em class="property">property </em><code class="sig-name descname">symbols</code><a class="headerlink" href="#atomman.cluster.BondAngleMap.symbols" title="Permalink to this definition">¶</a></dt>
<dd><p>the atomic symbols associated with the three atoms</p>
<dl class="field-list simple">
<dt class="field-odd">Type</dt>
<dd class="field-odd"><p><a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#list" title="(in Python v3.9)">list</a> or <a class="reference external" href="https://docs.python.org/3/library/constants.html#None" title="(in Python v3.9)">None</a></p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.cluster.BondAngleMap.thetamax">
<em class="property">property </em><code class="sig-name descname">thetamax</code><a class="headerlink" href="#atomman.cluster.BondAngleMap.thetamax" title="Permalink to this definition">¶</a></dt>
<dd><p>The maximum value used for the theta angles.</p>
<dl class="field-list simple">
<dt class="field-odd">Type</dt>
<dd class="field-odd"><p><a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)">float</a> or <a class="reference external" href="https://docs.python.org/3/library/constants.html#None" title="(in Python v3.9)">None</a></p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.cluster.BondAngleMap.thetamin">
<em class="property">property </em><code class="sig-name descname">thetamin</code><a class="headerlink" href="#atomman.cluster.BondAngleMap.thetamin" title="Permalink to this definition">¶</a></dt>
<dd><p>The minimum value used for the theta angles.</p>
<dl class="field-list simple">
<dt class="field-odd">Type</dt>
<dd class="field-odd"><p><a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)">float</a> or <a class="reference external" href="https://docs.python.org/3/library/constants.html#None" title="(in Python v3.9)">None</a></p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.cluster.BondAngleMap.thetanum">
<em class="property">property </em><code class="sig-name descname">thetanum</code><a class="headerlink" href="#atomman.cluster.BondAngleMap.thetanum" title="Permalink to this definition">¶</a></dt>
<dd><p>The number of values used for the theta angles.</p>
<dl class="field-list simple">
<dt class="field-odd">Type</dt>
<dd class="field-odd"><p><a class="reference external" href="https://docs.python.org/3/library/functions.html#int" title="(in Python v3.9)">int</a> or <a class="reference external" href="https://docs.python.org/3/library/constants.html#None" title="(in Python v3.9)">None</a></p>
</dd>
</dl>
</dd></dl>

</dd></dl>

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